4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide

C20H21FN4O2 — CID 174195240

IUPAC4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1
InChIInChI=1S/C20H21FN4O2/c1-14-11-16-15(3-2-4-19(16)27-14)12-23-20(26)25-9-7-24(8-10-25)18-5-6-22-13-17(18)21/h2-6,11,13H,7-10,12H2,1H3,(H,23,26)
InChIKeyQYTVECGYSXKRDR-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.31
Rot. Bonds3

About 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide

4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 174195240) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
PubChem CID174195240
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1
InChIInChI=1S/C20H21FN4O2/c1-14-11-16-15(3-2-4-19(16)27-14)12-23-20(26)25-9-7-24(8-10-25)18-5-6-22-13-17(18)21/h2-6,11,13H,7-10,12H2,1H3,(H,23,26)
InChIKeyQYTVECGYSXKRDR-UHFFFAOYSA-N
XLogP3.31
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
CID 174195286
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 166049434
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195525
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155438968
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
1-(3-fluoro-4-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 155454771

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide (CID 174195240) is 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide is Cc1cc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QYTVECGYSXKRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-11-16-15(3-2-4-19(16)27-14)12-23-20(26)25-9-7-24(8-10-25)18-5-6-22-13-17(18)21/h2-6,11,13H,7-10,12H2,1H3,(H,23,26).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide?
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 174195240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).